3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide

C21H25N3O4 — CID 8917080

IUPAC3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)NCc2cn3ccccc3n2)cc(OCC)c1OCC
InChIInChI=1S/C21H25N3O4/c1-4-26-17-11-15(12-18(27-5-2)20(17)28-6-3)21(25)22-13-16-14-24-10-8-7-9-19(24)23-16/h7-12,14H,4-6,13H2,1-3H3,(H,22,25)
InChIKeyYBGHPRALGROYJS-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.46
Rot. Bonds9

About 3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide

3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide (PubChem CID 8917080) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
PubChem CID8917080
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)NCc2cn3ccccc3n2)cc(OCC)c1OCC
InChIInChI=1S/C21H25N3O4/c1-4-26-17-11-15(12-18(27-5-2)20(17)28-6-3)21(25)22-13-16-14-24-10-8-7-9-19(24)23-16/h7-12,14H,4-6,13H2,1-3H3,(H,22,25)
InChIKeyYBGHPRALGROYJS-UHFFFAOYSA-N
XLogP3.46
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
CID 55976377
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100
3-(difluoromethoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methoxybenzamide
CID 47040736
N-[(2-ethoxy-4-pyridinyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 55707737
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxynaphthalene-2-carboxamide
CID 17397246
tert-butyl N-[4-(imidazo[1,2-a]pyridin-2-ylmethylcarbamoyl)phenyl]carbamate
CID 9185284
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902
4-(3,5-dimethylpyrazol-1-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 35991337
4-ethoxy-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide
CID 25429958
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 38539243
3,4,5-triethoxy-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866490
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9185148

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide (CID 8917080) is 3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide is CCOc1cc(C(=O)NCc2cn3ccccc3n2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide?
The InChIKey is YBGHPRALGROYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-26-17-11-15(12-18(27-5-2)20(17)28-6-3)21(25)22-13-16-14-24-10-8-7-9-19(24)23-16/h7-12,14H,4-6,13H2,1-3H3,(H,22,25).
What are the key properties of 3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide?
3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide has a molecular weight of 383.45 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 8917080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).